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1215764-12-7 | 5-Bromo-6-phenoxynicotinic acid
CAS No: 1215764-12-7 Catalog No: AG01FEU6 MDL No:
Product Description
Catalog Number:
AG01FEU6
Chemical Name:
5-Bromo-6-phenoxynicotinic acid
CAS Number:
1215764-12-7
Molecular Formula:
C12H8BrNO3
Molecular Weight:
294.1008
IUPAC Name:
5-bromo-6-phenoxypyridine-3-carboxylic acid
InChI:
InChI=1S/C12H8BrNO3/c13-10-6-8(12(15)16)7-14-11(10)17-9-4-2-1-3-5-9/h1-7H,(H,15,16)
InChI Key:
XNEKVNCAIXKWBB-UHFFFAOYSA-N
SMILES:
Brc1cc(cnc1Oc1ccccc1)C(=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.969g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.104g/mol
Monoisotopic Mass:
292.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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